N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine

C17H17N5OS — CID 665675

IUPACN-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
SMILESCC1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21
InChIInChI=1S/C17H17N5OS/c1-10-4-2-6-12-13(10)14-15-19-9-20-22(15)17(21-16(14)24-12)18-8-11-5-3-7-23-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,18,21)
InChIKeyYTJICBPTPGECTE-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.98
Rot. Bonds3

About N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine

N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine (PubChem CID 665675) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
PubChem CID665675
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
SMILESCC1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21
InChIInChI=1S/C17H17N5OS/c1-10-4-2-6-12-13(10)14-15-19-9-20-22(15)17(21-16(14)24-12)18-8-11-5-3-7-23-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,18,21)
InChIKeyYTJICBPTPGECTE-UHFFFAOYSA-N
XLogP3.98
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine with MolForge

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Related Compounds

F1174-1718
CID 704116
N-(furan-2-ylmethyl)-2-[(7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide
CID 665737
2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10065148
4-(Furan-2-yl)-12-methylsulfanyl-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10884000
N-[4-(furan-2-yl)-11-methyl-12-methylsulfanyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-(4-methoxyphenyl)acetamide
CID 11091600
N-[4-(furan-2-yl)-11-methyl-12-methylsulfanyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 11102838
N-[(Furan-2-Yl)methyl]-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Amine
CID 837191
2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
CID 651813
N-Furan-2-ylmethyl-2-(8-methyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluoren-3-ylsulfanyl)-acetamide
CID 651974
N-Furan-2-ylmethyl-2-(7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluoren-3-ylsulfanyl)-acetamide
CID 653834
N-(furan-2-ylmethyl)-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
CID 666073
8-ethyl-N-(furan-2-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
CID 666289

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The IUPAC name of N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine (CID 665675) is N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine is CC1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21.
What is the InChIKey of N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The InChIKey is YTJICBPTPGECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10-4-2-6-12-13(10)14-15-19-9-20-22(15)17(21-16(14)24-12)18-8-11-5-3-7-23-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine has a molecular weight of 339.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine is sourced from PubChem (CID 665675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).